fluoro propan-2-yl hydrogen phosphate

C3H8FO4P — CID 22590861

IUPACfluoro propan-2-yl hydrogen phosphate
SMILESCC(C)OP(=O)(O)OF
InChIInChI=1S/C3H8FO4P/c1-3(2)7-9(5,6)8-4/h3H,1-2H3,(H,5,6)
InChIKeyRRHCMJLAOWEDCK-UHFFFAOYSA-N
MW158.06 g/mol
LogP1.41
Rot. Bonds3

About fluoro propan-2-yl hydrogen phosphate

fluoro propan-2-yl hydrogen phosphate (PubChem CID 22590861) has the molecular formula C3H8FO4P and a molecular weight of 158.06 g/mol. Its IUPAC name is fluoro propan-2-yl hydrogen phosphate.

Molecular Properties

Compound Namefluoro propan-2-yl hydrogen phosphate
PubChem CID22590861
Molecular FormulaC3H8FO4P
Molecular Weight158.06 g/mol
Exact Mass158.01
IUPAC Namefluoro propan-2-yl hydrogen phosphate
SMILESCC(C)OP(=O)(O)OF
InChIInChI=1S/C3H8FO4P/c1-3(2)7-9(5,6)8-4/h3H,1-2H3,(H,5,6)
InChIKeyRRHCMJLAOWEDCK-UHFFFAOYSA-N
XLogP1.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.06
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dipropan-2-yl hydrogen phosphate;N-methylmethanamine
CID 14117486
difluoro propan-2-yl phosphate
CID 87647761
[hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate
CID 59471512
propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate
CID 10059393
fluoro methyl hydrogen phosphate
CID 87128109
ethenyl propan-2-yl hydrogen phosphate
CID 101139347
fluoro 1,2,3,3-tetrafluoropropyl hydrogen phosphate
CID 87753969
fluoro(methyl)phosphinic acid;2-[fluoro(methyl)phosphoryl]oxypropane
CID 87088477
calcium;dihydrogen phosphate;propan-2-yl hydrogen phosphate
CID 175259848
decan-2-yl fluoro hydrogen phosphate
CID 175171865
potassium;hydride;propan-2-yl dihydrogen phosphate
CID 173374044
[hydroxy(phosphonooxy)phosphinothioyl] propan-2-yl hydrogen phosphate
CID 59471498

Frequently Asked Questions

What is the IUPAC name of fluoro propan-2-yl hydrogen phosphate?
The IUPAC name of fluoro propan-2-yl hydrogen phosphate (CID 22590861) is fluoro propan-2-yl hydrogen phosphate.
What is the SMILES notation for fluoro propan-2-yl hydrogen phosphate?
The canonical SMILES for fluoro propan-2-yl hydrogen phosphate is CC(C)OP(=O)(O)OF.
What is the InChIKey of fluoro propan-2-yl hydrogen phosphate?
The InChIKey is RRHCMJLAOWEDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FO4P/c1-3(2)7-9(5,6)8-4/h3H,1-2H3,(H,5,6).
What are the key properties of fluoro propan-2-yl hydrogen phosphate?
fluoro propan-2-yl hydrogen phosphate has a molecular weight of 158.06 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro propan-2-yl hydrogen phosphate is sourced from PubChem (CID 22590861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).